CID 3019751

Sodium 1-aminoethanesulphinate

Structural Information

Molecular Formula
C2H7NO2S
SMILES
CC(N)S(=O)O
InChI
InChI=1S/C2H7NO2S/c1-2(3)6(4)5/h2H,3H2,1H3,(H,4,5)
InChIKey
QDTLBJBCSDJSCT-UHFFFAOYSA-N
Compound name
1-aminoethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

109.01975 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.027026 118.4
[M+Na]+ 132.008968 125.5
[M-H]- 108.012474 117.3
[M+NH4]+ 127.053573 140.2
[M+K]+ 147.982908 124.8
[M+H-H2O]+ 92.017010 113.8
[M+HCOO]- 154.017951 135.2
[M+CH3COO]- 168.033601 165.3
[M+Na-2H]- 129.994416 120.1
[M]+ 109.01920142 117.2
[M]- 109.02029858 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.